RefMet Compound Details

MW structure51574 (View MW Metabolite Database details)
RefMet nameo-Xylene
Systematic name1,2-xylene
SMILESCc1ccccc1C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass106.078250 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H10View other entries in RefMet with this formula
InChIInChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChIKeyCTQNGGLPUBDAKN-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassOther benzenes
Pubchem CID7237
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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